3-Cyano-1-{[3-(trifluoromethyl)phenyl]methyl}quinolin-1-ium

Base Information

• Chemical Name: 3-Cyano-1-{[3-(trifluoromethyl)phenyl]methyl}quinolin-1-ium
• CAS No.: 89321-44-8
• Molecular Formula: C18H12F3N2
• DSSTox Substance ID: DTXSID60556078
• Wikidata: Q82437549

Synonyms:89321-44-8;DTXSID60556078;3-Cyano-1-{[3-(trifluoromethyl)phenyl]methyl}quinolin-1-ium

Chemical Property of 3-Cyano-1-{[3-(trifluoromethyl)phenyl]methyl}quinolin-1-ium

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 313.09525788
• Heavy Atom Count: 23
• Complexity: 453

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C=[N+]2CC3=CC(=CC=C3)C(F)(F)F)C#N

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